ethanedioic acid; 3-methyl-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-1-butanone; oxalic acid IUPAC Name: 3-methyl-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]butan-1-one; oxalic acid Traditional Name: 3-methyl-1-[4-(3-phenoxybenzyl)piperazino]butan-1-one; oxalic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2.C2H2O4/c1-18(2)15-22(25)24-13-11-23(12-14-24)17-19-7-6-10-21(16-19)26-20-8-4-3-5-9-20;3-1(4)2(5)6/h3-10,16,18H,11-15,17H2,1-2H3;(H,3,4)(H,5,6)